(2-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-(4-nitro-3-pyrrolidino-phenyl)piperazino]methanone Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O3/c22-18-6-2-1-5-17(18)21(27)25-13-11-23(12-14-25)16-7-8-19(26(28)29)20(15-16)24-9-3-4-10-24/h1-2,5-8,15H,3-4,9-14H2